SCHEMBL6316802

SCHEMBL6316802

CCCC(=O)Nc1onc(-c2ccc3ccccc3n2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.42
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
LIMK1 P53667 2/20 0.42
CDK5 Q00535 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
STK17A Q9UEE5 1/20 0.42
KDM4E B2RXH2 5/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA1 P30542 5/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6322010 0.94 ADORA1 (0.41) MAP4K4CDK1CDK2GSK3AGSK3B
SCHEMBL6321948 0.87 RAB9A (0.55) ADORA1RAB9ANPC1NFKB1NFKB2
SCHEMBL6319257 0.87 ALDH1A1 (0.39) KDM4ERAB9ANPC1NFKB1NFKB2
SCHEMBL6322895 0.86 SMN1; SMN2 (0.42) KDM4EADORA1RAB9ANPC1NFKB1
SCHEMBL6318523 0.86 ADORA1 (0.38) KDM4EADORA1RAB9ANPC1NFKB1
SCHEMBL6319745 0.84 ADORA1 (0.40) ADORA1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6316137 0.84 ALDH1A1 (0.41) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL6315406 0.81 RAB9A (0.41) GSK3AGSK3BKDM4ERAB9ANPC1
SCHEMBL6315987 0.79 NPC1 (0.47) GSK3BADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL6317601 0.76 NPC1 (0.42) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MAP4K4 30/4885CDK1 186/4885CDK2 284/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.